In the realm of supramolecular chemistry, development in synthetic receptors for harmful analytes has attracted substantial attention recent decades due to fact that a huge number chemical and biological processes involve molecular recognition these species. It is therefore important develop methods/techniques sensing such analytes. To design sensor, one or more urea/thiourea fragments are inco...

Excitation energies, oscillator strengths, and vacuum-ultraviolet/deep-ultraviolet absorption spectra were calculated for nerve agents, such as sarin, soman, VX, tabun, mustard gas, and analogs. We used time-dependent density functional theory (TD-DFT) methods that included B3LYP combined with basis sets of cc-pVDZ and cc-pVTZ, and ωB97XD with cc-pVTZ. The vertical ionization energies were also...

A good knowledge of the basic mechanisms of acute toxicity of organophosphorus compounds has lead to the development of specific antidotes able to counteract their acute toxic effects. Unfortunately, there are still some highly toxic organophosphorus compounds, called nerve agents, that are resistant to standard antidotal treatment. Relatively unsatisfactory antidotal treatment of acute poisoni...

Delayed neurotoxic complications of chemical warfare agents (CWA), such as sulphur mustard (SM) and tabun, in human beings have not been reported in detail. We thus aimed to investigate possible neurotoxic complications of these agents in Iranian veterans 22-27 years after exposure. After co-ordination with the veteran foundation and obtaining the approval of the medical research ethics committ...

A novel colorimetric probe (P4) for the selective differential detection of DFP (a Sarin and Soman mimic) and DCNP (a Tabun mimic) was prepared. Probe P4 contains three reactive sites; i.e. (i) a nucleophilic phenol group able to undergo phosphorylation with nerve gases, (ii) a carbonyl group as a reactive site for cyanide; and (iii) a triisopropylsilyl (TIPS) protecting group that is known to ...